Basic information
- CAS
10359-64-5- Standard SMILES
CCC(C)SC- InChIKey
IJRCRFQMYAJPPO-UHFFFAOYSA-N- Molecular formula
- C5H12S
- Average molar mass
- 104.22 g/mol
- Monoisotopic mass
- 104.06597156
Names & identifiers
- Preferred name
- 2-(Methylthio)butane
- IUPAC
- 2-methylsulfanylbutane
- English name
- sec-Butyl methyl sulfide
- Molecular formula
- C5H12S
- Molecular weight
- 104.21
Names & synonyms
2-(Methylthio)butane2-methylsulfanylbutaneButane, 2-(methylthio)-RefChem:461431677-759-510359-64-5sec-Butyl Methyl sulfideMethyl sec-butyl sulfide2-(methylsulfanyl)butaneSulfide, sec-butyl methyl3-methyl-2-thiapentaneMFCD00015193
Show more names
sec-butyl(methyl)sulfaneSEC-BUTYL METHYL SULPHIDESEC-BUTYL METHYL SULFIDE 98%
Methyl-sec-butylsulfidSCHEMBL290814SCHEMBL290815SCHEMBL384084SCHEMBL386179SCHEMBL1935014SCHEMBL3946650SCHEMBL7458712
Database identifiers
- CAS
10359-64-5- PubChem CID
- 93062
- DTXSID
DTXSID40908490- EC Number
- 677-759-5
- Nikkaji
- J100.770J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 27.1
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -105.69 °C · -105.69°C (estimate)
- Boiling point
- 116 · 116-117°C
- Density
- 0 · 0,824 g/cm3
- refractive index
- 1.445 · 1.4450
- Flash point
- 116 · 116-117°C
- form
- liquid (estimate)
- BRN
- 1730946 · 1730946
- Henry's Law Constant
- 3.6 · 3.6×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
- LogP
- 2.35 · 2.350 (est)
- Symbol(GHS)
- 2 · GHS02
- Hazard statements
- 225 · H225
- Precautionary statements
- 210 · P210-P243-P261-P403
- Risk Statements
- 11 · 11-36/37/38
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- ridadr
- 1993
- risk_code
- 11-36/37/38
- Symbol(GHS)
- GHS02
- safety_code
- 16-26-36
- hazard_class
- 3
- packing_group
- II
- Hazard statements
- H225
- Precautionary statements
- P210-P243-P261-P403
Chemistry & industry
Suppliers14 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
常州瀚轩生物科技有限公司18602598900，18605190599 18602598900 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
BOC Sciences[email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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